%chk=000268815.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268815

0 1
Br 3.147543 3.286457 -2.401516
Br 3.987404 -0.552471 -2.310100
S 0.076072 1.023563 2.774904
S -0.357954 -3.304130 1.552703
N -1.509765 -0.883183 1.672526
C -2.822878 -1.254666 1.036100
C -1.596583 0.443806 2.331441
C -1.031660 -1.946430 2.583870
C -3.095299 -0.361013 -0.150400
C -4.145150 0.568042 -0.109530
C -2.309875 -0.473713 -1.307283
C -4.404616 1.377450 -1.219518
C -2.571343 0.340097 -2.412155
C 0.823203 1.637585 1.306054
C 0.855501 -2.543214 0.527538
C -3.618883 1.266396 -2.370739
C 0.570490 1.095957 0.046216
C 1.909093 -1.812460 1.080229
C 1.747893 2.673849 1.482479
C 0.746080 -2.736808 -0.852255
C 1.257504 1.594941 -1.066726
C 2.862074 -1.235844 0.232810
C 2.443813 3.166890 0.374799
C 1.700350 -2.167397 -1.702193
C 2.188849 2.618581 -0.885542
C 2.735549 -1.410471 -1.147407
H -3.668582 -1.229688 1.757617
H -2.755830 -2.312167 0.678813
H -2.073872 1.171443 1.635007
H -2.170588 0.459412 3.283637
H -0.231778 -1.569504 3.258693
H -1.811288 -2.420960 3.217839
H -4.763506 0.660687 0.780479
H -1.491627 -1.194303 -1.335583
H -5.221142 2.097155 -1.186019
H -1.958241 0.253074 -3.308008
H -3.821096 1.899493 -3.232567
H -0.145425 0.275432 -0.079728
H 1.992821 -1.674734 2.159413
H 1.932107 3.101229 2.469383
H -0.072938 -3.323245 -1.271812
H 1.072355 1.173037 -2.055876
H 3.681849 -0.649557 0.651118
H 3.172074 3.968916 0.499619
H 1.627294 -2.310636 -2.780633


%chk=000268815-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000268815

0 1
Br 2.223859 4.715999 -2.135782
Br 4.324853 -2.043103 -2.653235
S 0.346018 0.968297 2.980928
S -0.651569 -3.552847 1.435415
N -1.482447 -0.866566 1.771860
C -2.805970 -1.072843 1.105619
C -1.413835 0.389502 2.530670
C -0.978929 -2.028684 2.509953
C -2.986122 -0.216194 -0.139742
C -3.970191 0.800484 -0.195086
C -2.173780 -0.448583 -1.280888
C -4.140007 1.578033 -1.365423
C -2.341885 0.323138 -2.450514
C 0.823596 1.983731 1.520520
C 0.729660 -3.042846 0.334449
C -3.326216 1.340794 -2.495804
C 0.354446 1.709607 0.216059
C 1.438154 -1.826846 0.463752
C 1.716515 3.059905 1.743798
C 1.088092 -3.963764 -0.682328
C 0.757635 2.524207 -0.865872
C 2.501888 -1.529673 -0.419702
C 2.141918 3.863815 0.662247
C 2.153771 -3.675796 -1.562911
C 1.650711 3.588993 -0.631492
C 2.849339 -2.456514 -1.422011
H -3.644787 -0.892117 1.818544
H -2.836828 -2.141734 0.823782
H -1.886048 1.193521 1.943994
H -1.905068 0.330904 3.527992
H -0.044754 -1.750358 3.025568
H -1.693936 -2.439085 3.259189
H -4.611370 0.982089 0.677253
H -1.408873 -1.233634 -1.241216
H -4.903409 2.363512 -1.394084
H -1.714373 0.128178 -3.327717
H -3.457146 1.940162 -3.403644
H -0.315406 0.865929 0.029618
H 1.175355 -1.094643 1.232416
H 2.072592 3.283373 2.754923
H 0.542568 -4.907457 -0.793011
H 0.381118 2.314853 -1.871167
H 3.040150 -0.582749 -0.320096
H 2.831600 4.695065 0.833891
H 2.429110 -4.391155 -2.343016


